N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide

C20H20N4O2S — CID 24792289

IUPACN-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESCc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)cc1
InChIInChI=1S/C20H20N4O2S/c1-15-7-9-17(10-8-15)24(20(26)18-14-27-23-22-18)13-19(25)21-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,21,25)
InChIKeyIRSSJZVYWPWBRM-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.85
Rot. Bonds7

About N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide

N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (PubChem CID 24792289) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
PubChem CID24792289
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESCc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)cc1
InChIInChI=1S/C20H20N4O2S/c1-15-7-9-17(10-8-15)24(20(26)18-14-27-23-22-18)13-19(25)21-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,21,25)
InChIKeyIRSSJZVYWPWBRM-UHFFFAOYSA-N
XLogP2.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (CID 24792289) is N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is Cc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The InChIKey is IRSSJZVYWPWBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-15-7-9-17(10-8-15)24(20(26)18-14-27-23-22-18)13-19(25)21-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,21,25).
What are the key properties of N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 24792289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).